General Information of the Compound
| Compound ID |
CP0012360
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| Compound Name |
US10717746, Example 47
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| Structure |
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| Formula |
C23H31N5O2
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| Molecular Weight |
409.534
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(C)cn1
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| InChI |
InChI=1S/C23H31N5O2/c1-14-11-24-21(27-22(30)16-6-5-7-17(8-16)26-15(2)29)9-18(14)19-12-25-28-13-23(3,4)10-20(19)28/h9,11-12,16-17H,5-8,10,13H2,1-4H3,(H,26,29)(H,24,27,30)/t16-,17+/m0/s1
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| InChIKey |
NDQRCUOYOAPFLR-DLBZAZTESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound